5-Methoxy-2-methyl-2H-indazole

Base Information

• Chemical Name: 5-Methoxy-2-methyl-2H-indazole
• CAS No.: 541539-88-2
• Molecular Formula: C9H10N2O
• Molecular Weight: 162.18800
• DSSTox Substance ID: DTXSID60454944
• Nikkaji Number: J1.911.152K
• Wikidata: Q82276758
• Mol file: 541539-88-2.mol

Synonyms:5-Methoxy-2-methyl-2H-indazole;541539-88-2;5-METHOXY-2-METHYLINDAZOLE;2H-Indazole, 5-methoxy-2-methyl-;SCHEMBL3140661;DTXSID60454944;RMHPLDTVLLYJAQ-UHFFFAOYSA-N;MFCD16620002;AKOS024125501;DS-10994;CS-0045030;Y10579;A923451;J-517678

Chemical Property of 5-Methoxy-2-methyl-2H-indazole

Chemical Property:

• PSA: 27.05000
• LogP: 1.58190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-2-methyl-2H-indazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C2C=C(C=CC2=N1)OC

Technology Process of 5-Methoxy-2-methyl-2H-indazole

There total 4 articles about 5-Methoxy-2-methyl-2H-indazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

trimethoxonium tetrafluoroborate (420-37-1) + 5-methoxy-1H-indazole (94444-96-9) → 5-methoxy-2-methyl-2H-indazole (541539-88-2)

Guidance literature:

In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1021/jo0265434

Reference yield: 34.0%

5-methoxy-1-tosyl-1H-indazole + sodium methylate (124-41-4) → 5-methoxy-1-methyl-1H-indazole (756839-44-8) + 5-methoxy-2-methyl-2H-indazole (541539-88-2)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/asia.201800741

Reference yield:

5-methoxy-1H-indazole (94444-96-9) + methyl 2,2,2-trichloroacetimidate (2533-69-9) → 5-methoxy-2-methyl-2H-indazole (541539-88-2)

Guidance literature:

5-methoxy-1H-indazole; With trifluorormethanesulfonic acid; In dichloromethane; at 25 - 35 ℃; Inert atmosphere;

methyl 2,2,2-trichloroacetimidate; In dichloromethane; at 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.01.030

upstream raw materials:

trimethoxonium tetrafluoroborate

5-methoxy-1H-indazole

methyl 2,2,2-trichloroacetimidate

2-Methyl-5-bromo-2H-indazole